Materials Data on SmSeClO3 by Materials Project
SmSeO3Cl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded to five O2- and two equivalent Cl1- atoms to form a mixture of edge and corner-sharing SmCl2O5 pentagonal bipyramids. There are a spread of Sm–O bond distances ranging from 2.28–2.45 Å. There are one shorter (2.81 Å) and one longer (2.82 Å) Sm–Cl bond lengths. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.70 Å) and two longer (1.75 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Sm3+ and one Se4+ atom. Cl1- is bonded in a bent 150 degrees geometry to two equivalent Sm3+ atoms.